2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile

C42H27N3 — CID 175219321

IUPAC2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27N3/c43-28-34-24-33(39-27-32(29-14-4-1-5-15-29)26-38(44-39)31-18-8-3-9-19-31)25-37(30-16-6-2-7-17-30)42(34)45-40-22-12-10-20-35(40)36-21-11-13-23-41(36)45/h1-27H
InChIKeySQQMGGUINQKQJD-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.72
Rot. Bonds5

About 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile

2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile (PubChem CID 175219321) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
PubChem CID175219321
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C42H27N3/c43-28-34-24-33(39-27-32(29-14-4-1-5-15-29)26-38(44-39)31-18-8-3-9-19-31)25-37(30-16-6-2-7-17-30)42(34)45-40-22-12-10-20-35(40)36-21-11-13-23-41(36)45/h1-27H
InChIKeySQQMGGUINQKQJD-UHFFFAOYSA-N
XLogP10.72
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbazol-9-yl-3-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
CID 122575973
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146281051
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146280918
2,7-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280653
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
2-(3,6-ditert-butylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 150303541
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
5-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 126734603
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile?
The IUPAC name of 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile (CID 175219321) is 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile is N#Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile?
The InChIKey is SQQMGGUINQKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c43-28-34-24-33(39-27-32(29-14-4-1-5-15-29)26-38(44-39)31-18-8-3-9-19-31)25-37(30-16-6-2-7-17-30)42(34)45-40-22-12-10-20-35(40)36-21-11-13-23-41(36)45/h1-27H.
What are the key properties of 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile?
2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile has a molecular weight of 573.70 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile is sourced from PubChem (CID 175219321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).